CID 57371101

1,1,1,2,2-pentafluoropentan-3-yl carbonate

Structural Information

Molecular Formula
C6H7F5O3
SMILES
CCC(C(C(F)(F)F)(F)F)OC(=O)O
InChI
InChI=1S/C6H7F5O3/c1-2-3(14-4(12)13)5(7,8)6(9,10)11/h3H,2H2,1H3,(H,12,13)
InChIKey
GLIWGURRHWYDPS-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoropentan-3-yl hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

222.03154 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03882 138.4
[M+Na]+ 245.02076 146.2
[M-H]- 221.02426 131.2
[M+NH4]+ 240.06536 155.8
[M+K]+ 260.99470 145.6
[M+H-H2O]+ 205.02880 130.6
[M+HCOO]- 267.02974 151.3
[M+CH3COO]- 281.04539 184.7
[M+Na-2H]- 243.00621 141.3
[M]+ 222.03099 132.4
[M]- 222.03209 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe